copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)

C32H32CuN6O4 — CID 139068438

IUPACcopper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)
SMILESCN(C)C=O.CN(C)C=O.[Cu+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.2C3H7NO.Cu/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;2*1-4(2)3-5;/h2*1-8,16H,(H,14,15);2*3H,1-2H3;/q;;;;+2/p-2
InChIKeyZBLTVIDNXHIWDH-UHFFFAOYSA-L
MW628.19 g/mol
LogP4.01
Rot. Bonds4

About copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)

copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide) (PubChem CID 139068438) has the molecular formula C32H32CuN6O4 and a molecular weight of 628.19 g/mol. Its IUPAC name is copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide).

Molecular Properties

Compound Namecopper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)
PubChem CID139068438
Molecular FormulaC32H32CuN6O4
Molecular Weight628.19 g/mol
Exact Mass627.18
IUPAC Namecopper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)
SMILESCN(C)C=O.CN(C)C=O.[Cu+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.2C3H7NO.Cu/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;2*1-4(2)3-5;/h2*1-8,16H,(H,14,15);2*3H,1-2H3;/q;;;;+2/p-2
InChIKeyZBLTVIDNXHIWDH-UHFFFAOYSA-L
XLogP4.01
TPSA144.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.19
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(((1H-Benzimidazol-2-ylmethyl)(benzyl)amino)methyl)-6-((bis(1H-benzimidazol-2-ylmethyl)amino)methyl)-4-methylphenol hydrochloride
CID 386990
CID 139166817
CID 139166817
3-[1H-benzimidazol-2-yl-(5-fluoro-2-hydroxyphenyl)methyl]-1-methyl-7-[4-(1-methylpiperidin-4-yl)phenyl]-4H-quinazolin-2-one
CID 166885400
2,6-Bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol
CID 136742168
dizinc;tetrakis(2-benzhydryl-6-(1H-benzimidazol-2-yl)-4-methylphenolate)
CID 139041399
ZINC bis(2-benzhydryl-4-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)phenolate)
CID 139041400
Bis[2-(benzimidazol-2-yl)phenolato-kappa^2^N,O] cobalt(II)
CID 139068471
Bis[2-(2-oxidophenyl)-1H-benzimidazole-kappa^2^N^3^,O]zinc(II) dimethylformamide disolvate
CID 139070314
CID 139070642
CID 139070642
2-(2-phenylmethoxyphenyl)-1H-benzimidazole
CID 139074423
Bis[2-(1H-benzimidazol-2-yl)phenolato-kappa^2^N^3^,O]cobalt(II) dimethylformamide disolvate
CID 139075313
Bis[2-(1H-benzimidazol-2-yl)phenolato]dimethanolmanganese(III) chloride
CID 139078789

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)?
The IUPAC name of copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide) (CID 139068438) is copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide).
What is the SMILES notation for copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)?
The canonical SMILES for copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide) is CN(C)C=O.CN(C)C=O.[Cu+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)?
The InChIKey is ZBLTVIDNXHIWDH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H10N2O.2C3H7NO.Cu/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;2*1-4(2)3-5;/h2*1-8,16H,(H,14,15);2*3H,1-2H3;/q;;;;+2/p-2.
What are the key properties of copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide)?
copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide) has a molecular weight of 628.19 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(1H-benzimidazol-2-yl)phenolate);bis(N,N-dimethylformamide) is sourced from PubChem (CID 139068438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).